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199852-43-2 | 4(3H)-Pyrimidinone, 5-ethyl-6-(phenylmethyl)-2-(2-propen-1-ylthio)-
CAS No: 199852-43-2 Catalog No: AG002CEK MDL No:
Product Description
Catalog Number:
AG002CEK
Chemical Name:
4(3H)-Pyrimidinone, 5-ethyl-6-(phenylmethyl)-2-(2-propen-1-ylthio)-
CAS Number:
199852-43-2
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
IUPAC Name:
4-benzyl-5-ethyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H18N2OS/c1-3-10-20-16-17-14(13(4-2)15(19)18-16)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3,(H,17,18,19)
InChI Key:
UNFBOYLJBBGKHB-UHFFFAOYSA-N
SMILES:
C=CCSc1nc(Cc2ccccc2)c(c(=O)[nH]1)CC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activity of novel 2,3-dihydro-7H-thiazolo[3,2-a]pyrimidin-7-ones. | Journal of medicinal chemistry 19980115 |
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